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arXiv:2508.21405 · Physical review. B./Physical review. B

Determination of ground states of one-dimensional quantum systems using the cluster iTEBD method

Tao Yang, Rui Wang, Z. Y. Xie, Baigeng Wang

Published Aug 12, 2025• 1 citation
arXivHTMLPDF

Abstract

Within the framework of imaginary-time evolution for matrix product states, we introduce a cluster version of the infinite time-evolving block decimation algorithm for simulating quantum many-body systems, addressing the computational accuracy challenges in strongly correlated physics. By redefining the wave-function ansatz to incorporate multiple physical degrees of freedom, we enhance the representation of entanglement, thereby improving the accuracy of the ground states. Utilizing the Trotter-Suzuki decomposition and optimized truncation schemes, our method maintains roughly the same computational complexity while capturing more quantum correlations. We apply this approach to three nontrivial cases: the gapless spin-1/2 Heisenberg chain, the spin-1 anisotropic XXZD chain with a higher-order Gaussian-type phase transition, and a spin-1/2 twisted triangular prism hosting a magnetic plateau phase. Improved accuracy in physical quantities, such as magnetization, ground-state energy, and entanglement entropy, has been demonstrated. This method provides a scalable framework for studying complex quantum systems with high precision, making it suitable for situations where a pure increase in bond dimension alone cannot guarantee satisfactory results.

DOI
10.1103/pfzr-tc95

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Within the framework of imaginary-time evolution for matrix product states, we introduce a cluster version of the infinite time-evolving block decimation algorithm for simulating quantum many-body systems, addressing the computational accuracy challenges in strongly correlated physics. By redefining the wave-function ansatz to incorporate multiple physical degrees of freedom, we enhance the representation of entanglement, thereby improving the accuracy of the ground states. Utilizing the Trotter-Suzuki decomposition and optimized truncation schemes, our method maintains roughly the same computational complexity while capturing more quantum correlations. We apply this approach to three nontrivial cases: the gapless spin-1/2 Heisenberg chain, the spin-1 anisotropic XXZD chain with a higher-order Gaussian-type phase transition, and a spin-1/2 twisted triangular prism hosting a magnetic plateau phase. Improved accuracy in physical quantities, such as magnetization, ground-state energy, and entanglement entropy, has been demonstrated. This method provides a scalable framework for studying complex quantum systems with high precision, making it suitable for situations where a pure increase in bond dimension alone cannot guarantee satisfactory results.
We study quantum phase transitions of a XXZ spin model with spin S = 1/2 and 1 in one dimension. The XXZ spin chain is one of basic models in understanding various one-dimensional magnetic materials. To study this model, we construct infinite-lattice matrix product state (iMPS), which is a tensor product form for a one-dimensional many-body quantum wave function. By using timeevolution- block-decimation method (TEBD) on iMPS, we obtain the ground states of the XXZ model at zero temperature. This method is very delicate in calculating ground states so that we developed a reliable method of finding the ground state with the dimension of entanglement coefficients up to 300, which is beyond the previous works. By analyzing ground-state energies, half-chain entanglement entropies, and entanglement spectrum, we found the signatures of quantum phase transitions between ferromagnetic phase, XY phase, Haldane phase, and antiferromagnetic phase.
We demonstrate an efficient method that allows for simultaneous determination of the ground state, low energy excitation properties and excitation gap in quantum many body systems. To this aim we first use the \textit{ab-initio} optimization principle of tensor networks (TN), to show that the infinite density matrix renormalization group (iDMRG) in the real space is associated in a natural manner to the infinite time-evolving block decimation (iTEBD) implemented on a continuous matrix product state (MPS), and defined in imaginary time. We illustrate this association showing that the (imaginary) time matrix product state (MPS) in iTEBD reproduces accurately the properties of the two-dimensional (2D) classical Ising model, verifying in this way that the time MPS corresponds to a well-defined physical state. We apply then our scheme to the one-dimensional (1D) quantum Ising chain, where the time MPS is defined in continuous imaginary time. It is found that the time MPS at or close to the critical point is always maximally entangled, but gives essentially different correlations than those obtained from iDMRG; we argue that these correlations describe the dynamic correlations for the ground state.
We propose an environment recycling scheme to speed up a class of tensor network algorithms that produce an approximation to the ground state of a local Hamiltonian by simulating an evolution in imaginary time. Specifically, we consider the time-evolving block decimation (TEBD) algorithm applied to infinite systems in 1D and 2D, where the ground state is encoded, respectively, in a matrix product state (MPS) and in a projected entangled-pair state (PEPS). An important ingredient of the TEBD algorithm (and a main computational bottleneck, especially with PEPS in 2D) is the computation of the so-called environment, which is used to determine how to optimally truncate the bond indices of the tensor network so that their dimension is kept constant. In current algorithms, the environment is computed at each step of the imaginary time evolution, to account for the changes that the time evolution introduces in the many-body state represented by the tensor network. Our key insight is that close to convergence, most of the changes in the environment are due to a change in the choice of gauge in the bond indices of the tensor network, and not in the many-body state. Indeed, a consistent choice of gauge in the bond indices confirms that the environment is essentially the same over many time steps and can thus be re-used, leading to very substantial computational savings. We demonstrate the resulting approach in 1D and 2D by computing the ground state of the quantum Ising model in a transverse magnetic field.
The infinite time-evolving block decimation algorithm (iTEBD) provides an efficient way to determine the ground state and dynamics of the quantum lattice systems in the thermodynamic limit. In this paper we suggest an optimized way to take the iTEBD calculation, which takes advantage of additional reduced decompositions to speed up the calculation. The numerical calculations show that for a comparable computation time our method provides more accurate results than the traditional iTEBD, especially for lattice systems with large on-site degrees of freedom.
In recent years, the infinite time-evolving block decimation (iTEBD) method has been demonstrated to be one of the most efficient and powerful numerical schemes for time evolution in one-dimensional quantum many-body systems. However, a major shortcoming of the method, along with other state-of-the-art algorithms for many-body dynamics, has been their restriction to one spatial dimension. We present an algorithm based on a hybrid extension of iTEBD where finite blocks of a chain are first locally time evolved before an iTEBD-like method combines these processes globally. This in turn permits simulating the dynamics of many-body systems in spatial dimensions $d\ensuremath{\ge}1$ where the thermodynamic limit is achieved along one spatial dimension and where long-range interactions can also be included. Our work paves the way for simulating the dynamics of many-body phenomena that occur exclusively in higher dimensions and whose numerical treatments have hitherto been limited to exact diagonalization of small systems, which fundamentally limits a proper investigation of dynamical criticality. We expect the algorithm presented here to be of significant importance to validating and guiding investigations in state-of-the-art ion-trap and ultracold-atom experiments.
Numerical methods for obtaining exact dynamics of non-Markovian open quantum systems are mostly limited to either small systems or to short-time evolution only. Here, we propose a new algorithm for computing process tensors--matrix product operator (MPO) representations that capture the environment influence--which achieves greatly enhanced computational scalings with system size, while maintaining linear scaling with simulation length. We build on recent developments in the field which allow for long-time evolutions through process tensors which have a time-translational invariance. These can be built for general Gaussian environments and generic coupling operators with the system using infinite time-evolving block decimation (iTEBD). We introduce a modified iTEBD algorithm using intermediate compression steps which bring down the computation time scaling with system size ddd from O(d8)\mathcal{O}(d^8)O(d8) to O(d4)\mathcal{O}(d^4)O(d4), as well as significantly lowering the required memory. To illustrate the power of this method, we apply it to the problem of dispersive qubit readout in circuit QED, which was previously out-of-reach numerically. The full treatment of the measurement resonator, which requires a large system space, combined with the long simulation times precipitated by the separation of timescales between the measurement drive and the environment dissipation, is now possible. The algorithm we introduce not only allows for capturing non-Markovian dynamics in large open quantum systems, but also further extends all the existing capabilities of process tensors, for example in quantum optimal control, or in computation of multi-time correlations or of steady states, to more complex systems with tens of levels.